N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C14H15N3O2 — CID 3236170

IUPACN-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1noc2c1CCCC2
InChIInChI=1S/C14H15N3O2/c18-14(16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)19-17-13/h3-4,7-8H,1-2,5-6,9H2,(H,16,18)
InChIKeyUOZOIVORLONSMN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.88
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 3236170) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID3236170
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1noc2c1CCCC2
InChIInChI=1S/C14H15N3O2/c18-14(16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)19-17-13/h3-4,7-8H,1-2,5-6,9H2,(H,16,18)
InChIKeyUOZOIVORLONSMN-UHFFFAOYSA-N
XLogP1.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 3236170) is N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCc1cccnc1)c1noc2c1CCCC2.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is UOZOIVORLONSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)19-17-13/h3-4,7-8H,1-2,5-6,9H2,(H,16,18).
What are the key properties of N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 3236170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).